New Contributions to A+M Databases for Plasma Modeling

1. New Contributions to A+M Databases for Plasma Modeling R.K. Janev Macedonian Academy of Sciences and Arts, Skopje, Macedonia IAEA RCM on A+M data for plasma modeling, Nov. 17-19, 2008

2. Outline: • Electron impact processes: - Excitation of A, B, C, electronic states of CH; - Dissociative electron attachment on H2(v) in the 14 eV energy region • State-selective electron capture in H(1s) – fully stripped ion collisions • Electron loss cross sections of Liq+ , Beq+ , Bq+ and Cq+ ions colliding with H and H+

3. e-impact excitation of A2∆,B2Σ-,C2 Σ- states of CH: 0-0 transitions (collaboration with R. Celiberto and D. Reiter) Cross sections: ** E ≤ 10 eV: R-Matrix (Baluja, Msezane, J.Phys.B: 34, 3157 (2001)) ** E ≥ 20 eV: Bethe –Born ** 10 eV ≤ E ≤ 20 eV: interpolation

4. Basis for Bethe-Born calculations: Potential energy curves, excitation energies, dipole transition moments: X2Π→ A2∆ : Larsson, JCP (1983) X2Π→ B2Σ-,C2 Σ- : Dishoeck, JCP (1986)

5. Potential energy curves

6. Dipole transition moments

13. v-v’ transitions: scaling σX,Fv,v’ (x) ~ (1/x )(1/∆EX,Fv,v’) MX,Fv,v’ (Born) x = E/∆EX,Fv,v’ , MX,Fv,v’ = |<v’|D(R )|v>|2 σX,Fv,v’ =(∆E0,0’/∆Ev,v’ )X,F (Mv,v’ / M0,0’)X,FσX,F0,0’ (x) F = A, B, C

14. Dissociative electron attachment on H2(v) near 14 eV (collaboration with R. Celiberto, J. Wadehra and A. Laricchiuta) e + H2(X;v)→ H2−(2Σg+) → H−(1s2) + H(2s) ** Feshbach resonance with a, c triplets and C, EF singlets as parent states; ** Er(R)and Γ(R) determined by Stibbe, Tennyson (J.Phys.B, 1998) for R ≤ 4a0

15. Method: • Resonace theory with local complex potential; • Exrapolation of S&T data for R ≥ 4a0; • RVE calculations with this extrapolation gave good agreement with Gomer and Read exp. data

16. Potential energy curves

20. V=5

21. V=10

22. State-selective electron capture in H(1s) - AZ+ and He2+ -He+ collisions (collaboration with J.G. Wang and L. Liu, Beijing) • AZ+ = H+, He2+ , C6+ , O8+ • He+ = He+(1s), He+(2s) • Method: AOCC with extremely large expansion basis (the largest to date)

23. Atomic-orbital close-coupling method

24. Close-coupling equations Initial conditions Cross sections for excitation, capture and ionization

25. Used AO basis sets • H+ + H: 10P/156H (excitation) (icludes 99ps) 156P/10 H (charge exchange) • He2++ H: 20P/156H (exc); 156P/20 (CX) • C6+ + H:120P/4H (CX) (before: 35P/1H) • O8+ + H: 84P/4H (CX) (before: 45P/1H)

26. PartⅠ: H++H(1s) collision system Electron capture to 1s, 2s and 2p states of H

27. Energy behavior of 2s excitation cross section.

28. Energy behavior of 2p excitation cross section

29. Energy behavior of 3s excitation cross section

30. Energy behavior of 3p excitation cross section

31. Energy behavior of 3d excitation cross section

32. Part Ⅱ: He2+ + H(1s) collision system: Energy dependence of state-selective cross sections for electron capture to 1s, 2l, 3l and 4l states of He+.

33. Partial electron capture cross sections to He+(n), n = 1, 2, 3, 4.

34. Total charge transfer cross section for He2++H (1s) collision

35. Energy behavior of 2p excitation cross section

36. Energy behavior of 3p excitation cross section

37. Part Ⅲ: C6+ + H(1s) collision system

42. Partial electron capture cross section to C5+(n=5)

43. Partial electron capture cross section to C5+(n=4)

45. Total electron capture cross sections for C6++H (1s) collisions

46. Part Ⅳ: O8++H(1s) collision system Partial electron capture cross sections to O7+(n), n=4, 5, 6.

47. Energy dependence of state-selective cross sections for electron capture to 4l states of O7+

48. State-selective cross sections for electron capture to 5l states of O7+

49. State-selective cross sections for electron capture to 6l states of O7+.

50. Total charge transfer cross sections for O8++H (1s) collisions